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NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics

Raimondas Galvelis, Alejandro Varela-Rial, Stefan Doerr, Roberto Fino, Peter Eastman, Thomas E. Markland, John D. Chodera, Gianni De Fabritiis

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Tags: Biology, Chemistry, CUDA, GeForce RTX 2080 Ti, Machine learning, Molecular dynamics, Molecular simulation, Neural networks, nVidia, Package

January 23, 2022 by hgpu

HipKittens: Fast and Furious AMD Kernels

HipKittens: Fast and Furious AMD Kernels

Fortran xDSL dialects

An MLIR pipeline for offloading Fortran to FPGAs via OpenMP

mt4g: Memory Topology 4 GPUs

MT4G: A Tool for Reliable Auto-Discovery of NVIDIA and AMD GPU Compute and Memory Topologies

Falcon: GPU-Based Floating-point Adaptive Lossless Compression

A High-Throughput GPU Framework for Adaptive Lossless Compression of Floating-Point Data

CudaForge: An Agent Framework with Hardware Feedback for CUDA Kernel Optimization

CudaForge: An Agent Framework with Hardware Feedback for CUDA Kernel Optimization

LC Framework

Characterizing the Performance of Parallel Data-Compression Algorithms across Compilers and GPUs

pplx-garden: Perplexity open source garden for inference technology

RDMA Point-to-Point Communication for LLM Systems

OpScanner

A Study of Floating-Point Precision Tuning in Deep Learning Operators Implementations

Atlas CLI: Machine Learning (ML) Lifecycle & Transparency Manager

Scalable GPU-Based Integrity Verification for Large Machine Learning Models

transformers_tvm: Implementation of Encoder Decoder transformer on TVM

Enhancing Transformer Performance and Portability through Auto-tuning Frameworks

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